(3S,8S,9S,10R,13S,17R)-17-[(2S,3R)-3-Hydroxy-6-Methylhept-5-En-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 54604-98-7]

Identification

• Name: (3S,8S,9S,10R,13S,17R)-17-[(2S,3R)-3-Hydroxy-6-Methylhept-5-En-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,8S,9S,10R,13S,17R)-17-[(1S,2R)-2-Hydroxy-1,5-Dimethyl-Hex-4-Enyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13S,17R)-17-[(1S,2R)-2-Hydroxy-1,5-Dimethylhex-4-Enyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13S,17R)-17-[(2S,3R)-3-Hydroxy-6-Methyl-Hept-5-En-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 54604-98-7
• SMILES: [C@H]13[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@]4(C3CC[C@@H]4[C@@H]([C@H](O)CC=C(C)C)C)C
• InChI: 1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,18,20-25,28-29H,8-16H2,1-5H3/t18-,20-,21-,22+,23?,24-,25+,26-,27+/m0/s1
• InChIKey: DJZMVDQAHDXJDB-RYELNKERSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 522.047°C at 760 mmHg (Cal.)
• Flash point: 219.24°C (Cal.)